CID 118097186

Methyl 2-ethenyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H7NO2S
SMILES
COC(=O)C1=CN=C(S1)C=C
InChI
InChI=1S/C7H7NO2S/c1-3-6-8-4-5(11-6)7(9)10-2/h3-4H,1H2,2H3
InChIKey
QYORWSLJXJHLTH-UHFFFAOYSA-N
Compound name
methyl 2-ethenyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

169.01974 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 133.3
[M+Na]+ 192.00896 143.2
[M-H]- 168.01246 136.5
[M+NH4]+ 187.05356 155.1
[M+K]+ 207.98290 141.4
[M+H-H2O]+ 152.01700 127.7
[M+HCOO]- 214.01794 152.6
[M+CH3COO]- 228.03359 175.4
[M+Na-2H]- 189.99441 134.8
[M]+ 169.01919 137.2
[M]- 169.02029 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe